SCHEMBL4156370

SCHEMBL4156370

Cc1ncc(Cl)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
HTT P42858 3/20 0.41
HSD17B10 Q99714 3/20 0.41
PIK3CD O00329 1/20 0.34
HSD11B1 P28845 3/20 0.33
COMT P21964 1/20 0.33
CRHR1 P34998 1/20 0.33
PDK2 Q15119 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
NOTUM Q6P988 1/20 0.32
HPGD P15428 2/20 0.32
IDO1 P14902 1/20 0.32
IL1B P01584 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13145646 0.81 L3MBTL1 (0.33) L3MBTL1GLAHTTHSD17B10CRHR1
SCHEMBL12240479 0.78 CCR1 (0.37) HSD17B10PDK2HPGD
SCHEMBL30400470 0.78 PIK3CD (0.51) L3MBTL1GLAHTTHSD17B10PIK3CD
SCHEMBL2366596 0.78 PIK3CD (0.51) L3MBTL1GLAHTTHSD17B10PIK3CD
SCHEMBL16404975 0.77 AGBL2 (0.43) HTTHPGD
SCHEMBL10387514 0.77 L3MBTL1 (0.42) L3MBTL1GLAHTTHSD17B10PIK3CD
SCHEMBL16274509 0.77 AGBL2 (0.38) L3MBTL1HSD17B10CRHR1HPGDIDO1
SCHEMBL14019047 0.76 L3MBTL1 (0.42) L3MBTL1GLAHTTHSD17B10PIK3CD
SCHEMBL12946093 0.75 HPGD (0.32) HSD17B10HPGDIDO1
SCHEMBL19349268 0.75 GAA (0.42) GLAHSD17B10PIK3CDHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118286-A1 Heterobicyclic Acrylamides BAYER CROPSCIENCE AG (DE) 2009-05-07 US claimed
CN-101171255-A Heterobicyclic acrylamides BAYER CROPSCIENCE AG (DE) 2008-04-30 CN claimed
EP-1858899-A1 HETEROBICYCLIC ACRYLAMIDES Bayer CropScience AG (DE) 2007-11-28 EP claimed
WO-2006094666-A1 HETEROBICYCLIC ACRYLAMIDES BAYER CROPSCIENCE AG (DE) 2006-09-14 WO claimed
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-12-22 US disclosed
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA, LTD. (JP) 2020-06-04 US disclosed
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 EP disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 US disclosed
WO-2016115463-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-07-21 WO disclosed
WO-2013096681-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 WO disclosed
US-20090118286-A1 Heterobicyclic Acrylamides BAYER CROPSCIENCE AG (DE) 2009-05-07 US disclosed
US-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof BAYER CROPSCIENCE AG (DE) 2008-09-04 US disclosed
US-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof BAYER CROPSCIENCE AG (DE) 2008-09-04 US disclosed
CN-101171255-A Heterobicyclic acrylamides BAYER CROPSCIENCE AG (DE) 2008-04-30 CN disclosed
EP-1858899-A1 HETEROBICYCLIC ACRYLAMIDES Bayer CropScience AG (DE) 2007-11-28 EP disclosed
WO-2006094666-A1 HETEROBICYCLIC ACRYLAMIDES BAYER CROPSCIENCE AG (DE) 2006-09-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof PFAS, CYP4Z1, CYP4F12 L3MBTL1 3857/4885GLA 2816/4885HTT 3606/4885
US-10870638-B2 Pyridazinone compound or its salt, and herbicide containing it H1-0, H1-4, H1-3 L3MBTL1 1491/4885GLA 3134/4885HTT 1349/4885
US-20090118286-A1 Heterobicyclic Acrylamides CCNB1, C3AR1, CCNA2 L3MBTL1 1095/4885GLA 4258/4885HTT 157/4885
US-20200172517-A1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT H1-0, H1-4, H1-3 L3MBTL1 1491/4885GLA 3134/4885HTT 1349/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS L3MBTL1 2667/4885GLA 3000/4885HTT 4335/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.